NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 V 4.0562 8.0544 120.3102 60.7460 33.5567 174.7006 3 I 4.2056 7.6700 120.9042 58.4049 40.0639 172.6493 4 A 4.8543 8.9248 130.5096 50.3083 22.8831 176.5810 5 T 4.0260 8.3601 116.5339 66.0705 68.6758 175.9141 6 D 4.8196 7.8913 118.8433 54.7884 41.1837 176.3377 7 D 4.8271 7.9226 117.8971 54.1932 42.1354 176.7238 8 L 5.1385 7.7387 117.2152 53.4616 44.8610 175.9724 9 E 5.2973 8.9154 119.0162 54.2698 33.2730 175.3352 10 V 4.5975 9.2433 124.0477 59.3060 34.7759 174.9360 11 A 4.3057 8.6466 125.5240 51.9754 19.0650 177.0433 12 C 4.2725 8.7907 122.2815 58.3966 32.4773 172.3255 13 P 4.3387 0.0000 0.0000 65.5233 30.9652 177.1302 14 K 4.6340 7.7968 113.5182 56.5929 37.4423 175.8090 15 C 4.9213 7.9035 113.6722 57.6808 29.7539 173.7045 16 E 5.2301 8.3255 113.7857 56.7391 29.6867 177.7862 17 R 4.6879 7.8152 113.4703 56.1486 33.1046 175.3916 18 A 4.4230 7.8544 117.5591 51.1924 21.8695 176.4661 19 G 3.9583 8.7277 103.0843 46.0171 0.0000 172.4450 20 E 4.7451 7.4376 118.0072 56.7545 31.6345 175.3711 21 I 3.9277 8.2717 112.4557 62.1190 40.4437 173.5073 22 E 3.8296 9.5787 130.3109 57.1643 27.5062 175.4136 23 G 3.9629 8.8026 104.2105 46.0952 0.0000 173.6684 24 T 4.6263 7.4964 116.5583 60.2221 71.3655 171.7513 25 P 4.4367 0.0000 0.0000 63.1837 31.0424 175.7181 26 C 4.2635 8.7894 123.7959 58.5908 32.2518 171.9432 27 P 3.9978 0.0000 0.0000 65.3955 31.0022 176.8044 28 A 4.6816 7.9361 116.6432 51.5589 20.4475 175.7937 29 C 4.6739 7.4537 110.6978 55.7281 30.2996 175.7086 30 S 4.3720 8.2224 128.7056 58.4102 61.5943 175.0049 31 G 4.2330 8.2161 102.0260 47.5884 0.0000 173.8424 32 K 4.3415 7.9936 117.6211 56.6259 35.3539 176.8072 33 G 4.7101 8.3996 107.3156 44.4122 0.0000 173.5755 34 V 4.9744 7.4050 110.5327 59.2351 34.7276 175.0989 35 I 4.6952 8.9821 115.2762 59.1645 41.0855 174.7963 36 L 5.0144 8.4580 122.8432 54.4827 43.6428 175.9431 37 T 4.6547 8.2728 110.9861 60.2127 71.6939 175.3385 38 A 4.0338 8.6794 121.9865 55.4818 18.3601 179.4012 39 Q 4.0407 8.1859 117.7092 59.4400 29.1622 178.7112 40 G 3.6566 8.0498 106.1685 47.9312 0.0000 175.1696 41 Y 3.9024 8.7992 119.4912 61.0997 37.9183 178.4251 42 T 4.0644 8.1924 116.8591 66.2039 68.6524 176.4721 43 L 4.2524 7.8095 120.3672 56.4929 41.8736 179.1096 44 L 4.0381 7.9979 120.4293 58.7871 40.7780 178.7298 45 D 4.6299 8.1586 118.5302 56.3858 41.2721 177.9724 46 F 4.0780 7.9474 121.2507 61.0596 39.2968 177.1892 47 I 4.0441 7.8825 112.4859 64.0547 37.2097 177.5018 48 Q 3.9960 8.5891 119.9558 59.2639 28.4165 178.3880 49 K 4.7443 7.7758 119.8221 57.1140 32.5588 177.3990 50 H 4.8396 7.4120 112.3782 56.1254 30.0352 173.9013 51 L 4.5888 7.6476 118.5734 55.9647 43.9162 177.2572 52 N 4.7574 8.0553 112.4173 53.1244 40.5042 175.0314 53 K 4.1639 9.1060 123.3579 56.3465 32.4152 175.8470 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 2 V 8.05 4.06 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.92 0.00 0.00 3 I 7.67 4.21 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.05 0.90 0.00 0.00 4 A 8.92 4.85 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 T 8.36 4.03 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 6 D 7.89 4.82 0.00 2.65 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 D 7.92 4.83 0.00 2.65 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 L 7.74 5.14 0.00 1.60 1.65 0.94 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 9 E 8.92 5.30 0.00 1.96 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.20 0.00 10 V 9.24 4.60 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.94 0.00 0.00 11 A 8.65 4.31 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 C 8.79 4.27 0.00 3.25 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 P 0.00 4.34 0.00 2.08 2.14 0.00 3.73 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.11 0.00 14 K 7.80 4.63 0.00 1.79 1.75 0.00 1.75 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.35 1.38 7.81 15 C 7.90 4.92 0.00 3.22 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.33 5.23 0.00 1.96 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.39 0.00 17 R 7.82 4.69 0.00 1.86 1.97 0.00 2.98 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.62 0.00 18 A 7.85 4.42 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 G 8.73 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 E 7.44 4.75 0.00 2.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.36 0.00 21 I 8.27 3.93 1.97 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.93 0.91 0.00 0.00 22 E 9.58 3.83 0.00 2.06 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.35 0.00 23 G 8.80 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 T 7.50 4.63 4.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 25 P 0.00 4.44 0.00 2.17 2.10 0.00 3.77 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 26 C 8.79 4.26 0.00 3.07 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 P 0.00 4.00 0.00 2.10 2.12 0.00 3.68 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.15 0.00 28 A 7.94 4.68 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 C 7.45 4.67 0.00 3.28 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 S 8.22 4.37 0.00 4.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 G 8.22 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 K 7.99 4.34 0.00 1.68 1.80 0.00 1.60 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.30 1.44 7.81 33 G 8.40 4.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 V 7.40 4.97 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.96 0.00 0.00 35 I 8.98 4.70 1.95 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.01 0.97 0.00 0.00 36 L 8.46 5.01 0.00 1.15 1.55 0.61 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 37 T 8.27 4.65 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 38 A 8.68 4.03 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 Q 8.19 4.04 0.00 2.14 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.84 0.00 0.00 0.00 0.00 0.00 2.43 2.43 0.00 40 G 8.05 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 Y 8.80 3.90 0.00 3.31 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 T 8.19 4.06 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 43 L 7.81 4.25 0.00 1.87 1.70 0.91 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 44 L 8.00 4.04 0.00 1.81 1.97 0.85 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 45 D 8.16 4.63 0.00 2.92 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 F 7.95 4.08 0.00 3.44 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 I 7.88 4.04 1.94 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.65 1.19 0.00 0.00 48 Q 8.59 4.00 0.00 2.22 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.93 0.00 0.00 0.00 0.00 0.00 2.52 2.52 0.00 49 K 7.78 4.74 0.00 1.70 1.67 0.00 1.40 0.00 0.00 1.48 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.27 1.24 7.81 50 H 7.41 4.84 0.00 3.03 3.14 0.00 5.84 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 L 7.65 4.59 0.00 1.66 1.64 0.94 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 52 N 8.06 4.76 0.00 2.65 2.83 0.00 0.00 6.75 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 K 9.11 4.16 0.00 1.66 1.62 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.92 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.34 1.52 7.81